MaX addresses the challenges of porting, scaling, and optimising material science application codes for the peta- and exascale platforms in order to deliver best code performance and improve users productivity on the upcoming architectures. The overall objective here is to consolidate and develop the competences and the services to enable materials science application workflows to exploit next generation systems toward exascale.
The main tasks include advanced programming paradigms, novel algorithms, domain specific libraries, in-memory data management, and software/hardware co-design.
Exascale related challenges are addressed, such as sustained performance, energy awareness, code fault tolerance, task concurrency and load balancing, numerical noise and stability.
MaX features a unique blend of specialists with cross-competences in materials science and High Performance Computing to work on exascale enablement of the relevant applications and to create know-how for exascale co-design activities.